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  1. 3561
    por Wolf, Matthias
    Publicado 2021
    “…According to the biospecies concept, organisms that can mate with each other belong to a species, e.g., Homo sapiens. But does this adequately explain to us what a species is? …”
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    How to Teach about What Is a Species
  2. 3562
    por Ni, Jun, Zhang, Li
    Publicado 2021
    “…Epidermal growth factor receptor 2 (HER2/ErbB2/neu), a member of ErbB receptor tyrosine kinase family, forms homo- or heterodimers with ErbB1 (HER1/EGFR), ErbB3 (HER3), or ErbB4 (HER4), to activate signal transduction pathways and promote proliferation, differentiation and tumorigenesis. …”
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    Progress in Treatment of Non-Small Cell Lung Cancer Harboring HER2 Aberrations
  3. 3563
    “…The electronic structure of this system is probed by density functional theory (DFT) calculations. The HOMO is largely localized on the Dt(2−) ligand while virtual orbitals are mostly Mo and Dt(0) in character. …”
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    Interligand communication in a metal mediated LL′CT system – a case study
  4. 3564
    por Chiang, Kuan-Rong, Tang, Yu-Hui
    Publicado 2021
    “…From our detailed analyses of spin-polarized transmission spectra, local density of states, and molecular density of states, the underlying mechanism is that the strong hybridization between Co-d, N-p(y), and the π-orbital of the phenyl ring in dissociated cases renders the 2-fold HOMO (4-fold LUMO) of the central molecule closer to the Fermi energy. …”
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    Effect of Contact Geometry on Spin Transport in Amine-Ended Single-Molecule Magnetic Junctions
  5. 3565
    “…In this paper, we proposed a universal model using a deep neural network (DNN) and named it TS-m6A-DL, which can classify m6A sites in several tissues of humans (Homo sapiens), mice (Mus musculus), and rats (Rattus norvegicus). …”
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    TS-m6A-DL: Tissue-specific identification of N6-methyladenosine sites using a universal deep learning model
  6. 3566
    “…The most significant changes involved photorespiratory Gly and Ser, aromatic and branched-chain amino acids as well as Ala, Asp, Asn, Arg, GABA and homoSer. While the Gly/Ser ratio increased in all Arabidopsis lines between air and low CO(2) conditions, low CO(2) conditions led to a higher increase in both Gly and Ser contents in gox1 and gox2.2 mutants when compared to wild-type and gox2.1 plants. …”
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    The Impact of Photorespiratory Glycolate Oxidase Activity on Arabidopsis thaliana Leaf Soluble Amino Acid Pool Sizes during Acclimation to Low Atmospheric CO(2) Concentrations
  7. 3567
    por Huang, Zhiqi, Yang, Peng, Wang, Fan
    Publicado 2021
    “…In this study, a cellular repressor of E1A-stimulated gene (CREG)-like protein, which is highly conserved from Drosophila melanogaster to Homo sapiens, was further characterized in shrimp plasma. …”
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    Shrimp Plasma CREG Is a Hemocyte Activation Factor
  8. 3568
    “…Thus, functionalized DPPs with easily tunable HOMO and LUMO energies and gap became available via a new and reliable synthetic strategy starting from readily available PTCDI.…”
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    2,9‐Diazadibenzoperylene and 2,9‐Dimethyldibenzoperylene‐1,3,8,10‐tetratriflates: Key to Functionalized 2,9‐Diazaperopyrenes
  9. 3569
    “…The early and continued use of Tritia gibbosula and other material culture traits also suggest a remarkable degree of cultural continuity among early MSA Homo sapiens groups across North Africa.…”
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    Early Middle Stone Age personal ornaments from Bizmoune Cave, Essaouira, Morocco
  10. 3570
    “…The Ultraviolet-visible (UV-Vis) spectra indicate that anthracenyl chalcones (ACs) have high maximum wavelengths and good transparency windows for optical applications and are suitable for optoelectronic applications owing to their HOMO–LUMO energy gaps (2.93 and 2.76 eV). Different donor substituents on the AC affect their dipole moments and nonlinear optical (NLO) responses. …”
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    Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores
  11. 3571
    por Srivastava, Ruby
    Publicado 2021
    “…The results indicated higher stability for the drug complexes due to a larger HOMO–LUMO gap. A high electrophilicity index reflects good electrophilic behavior and high reactivity of the drugs. …”
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    Theoretical Studies on the Molecular Properties, Toxicity, and Biological Efficacy of 21 New Chemical Entities
  12. 3572
    “…Density functional theory calculations revealed the LUMO and HOMO energy levels of NCs 1 and 2, where the characteristic absorbance peaks can be correlated with the discrete molecular orbital transitions. …”
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    A homoleptic alkynyl-protected [Ag(9)Cu(6)((t)BuC[triple bond, length as m-dash]C)(12)](+) superatom with free electrons: synthesis, structure analysis, and different properties compared with the Au(7)Ag(8) cluster in the M(15)(+) series
  13. 3573
    “…The DFT calculation allowed us to establish a relationship between GAP(HOMO-LUMO) and DAM with the observed antioxidant effects. …”
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    Synthesis, In Vitro, and In Silico Analysis of the Antioxidative Activity of Dapsone Imine Derivatives †
  14. 3574
    “…Time-resolved descriptors have been applied to study the time-resolved electron dynamics of HBDI, DNQDI, LiCN (being a model system for dipole switching upon highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) electronic excitation), and Ag(22). The computational analysis tools presented in this article can be employed to help the interpretation of fast and ultrafast spectroscopies on molecular, supramolecular, and composite systems.…”
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    Time-Resolved Excited-State Analysis of Molecular Electron Dynamics by TDDFT and Bethe–Salpeter Equation Formalisms
  15. 3575
    “…Gel filtration analysis of the recombinant AbSGR-h indicates that it forms a homo-oligomer. The three-dimensional structure of AbSGR-h was predicted by a deep learning-based method, which was evaluated by protein structure quality evaluation programs while structural stability of wild-type and mutant forms were investigated through molecular dynamics simulations. …”
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    Insights into the structure and function of the rate-limiting enzyme of chlorophyll degradation through analysis of a bacterial Mg-dechelatase homolog
  16. 3576
    “…Due to a low ceiling temperature, this “living” mechanism has been unreported to date, but we here demonstrate that through a combination of low temperature and repeated monomer additions (starve-fed process), this mechanism enables the generation of a plethora of multifunctional homo- and (stereo)block-poly(lactide)s (PLAs) with exquisite control of the molecular weight dispersity (typically Đ < 1.1) and topology (from linear through 4-, 6-, or 8-armed stars and up to ∼140 armed combs). …”
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    Versatile Preparation of Branched Polylactides by Low-Temperature, Organocatalytic Ring-Opening Polymerization in N-Methylpyrrolidone and Their Surface Degradation Behavior
  17. 3577
    “…Yet, Mga binds to promoter sequences as a homo-dimeric transcription factor, suggesting a bi-modal interaction with DNA. …”
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    PRD-Containing Virulence Regulators (PCVRs) in Pathogenic Bacteria
  18. 3578
    “…We currently are the only application to offer pre-trained models for six different eukaryotic organisms: Arabidopsis thaliana, Drosophila melanogaster, Gallus gallus, Homo sapiens, Oryza sativa and Saccharomyces cerevisiae. …”
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    TSSFinder—fast and accurate ab initio prediction of the core promoter in eukaryotic genomes
  19. 3579
    “…EPS-F2 was identified as a neutral homo-exopolysaccharide composed of only glucose with a high molecular weight of 1.108 × 10(8) g/mol. …”
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    Characterization of Structural and Physicochemical Properties of an Exopolysaccharide Produced by Enterococcus sp. F2 From Fermented Soya Beans
  20. 3580
    “…The highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) energy gap (−5.18 eV) computed by density functional theory (DFT) supports the layer-by-layer electrode modification strategy’s charge transfer and stability. …”
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    Electrocatalysis of Endosulfan Based on Fe(3)O(4): An Experimental and Computational Approach
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